4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one

C24H28N4O4 — CID 123153794

IUPAC4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one
SMILESC/N=C1/C(c2nc3ccccc3[nH]2)C(=O)C(C)(CC(C)O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C24H28N4O4/c1-14(29)13-24(2)21(30)20(22-26-18-8-6-7-9-19(18)27-22)23(25-3)28(24)15-10-16(31-4)12-17(11-15)32-5/h6-12,14,20,29H,13H2,1-5H3,(H,26,27)/b25-23-
InChIKeyPENIFFTVEPBTRE-BZZOAKBMSA-N
MW436.51 g/mol
LogP3.31
Rot. Bonds6

About 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one

4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one (PubChem CID 123153794) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one
PubChem CID123153794
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one
SMILESC/N=C1/C(c2nc3ccccc3[nH]2)C(=O)C(C)(CC(C)O)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C24H28N4O4/c1-14(29)13-24(2)21(30)20(22-26-18-8-6-7-9-19(18)27-22)23(25-3)28(24)15-10-16(31-4)12-17(11-15)32-5/h6-12,14,20,29H,13H2,1-5H3,(H,26,27)/b25-23-
InChIKeyPENIFFTVEPBTRE-BZZOAKBMSA-N
XLogP3.31
TPSA100.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methylimino-3-oxopyrrolidin-2-yl]ethyl]propanamide
CID 123485559
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-ethylimino-2,2-dimethylpyrrolidin-3-one
CID 123703047
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(furan-2-yl)-2-methyl-5-methyliminopyrrolidin-3-one
CID 123909622
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-imino-2-methylpyrrolidin-3-one
CID 123281251
N-[2-[4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide
CID 123149479
N-[2-[6-(1H-benzimidazol-2-yl)-4-(3,5-dimethoxyphenyl)-3-methyl-5-methylimino-1,4-oxazepan-3-yl]ethyl]-2-methoxyacetamide
CID 123817253
3-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-imino-1,9-diazaspiro[4.5]decan-4-one
CID 123903927
ethyl 2-(1H-benzimidazol-2-yl)-3-ethyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 141489995
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 685415
4-(1H-benzimidazol-2-yl)-1-(3-ethyl-5-methoxyphenyl)-5-imino-2,2-dimethylpyrrol-3-ol
CID 136608800
ethyl 2-(1H-benzimidazol-2-yl)-3-ethyl-4-oxo-1-phenylazetidine-2-carboxylate
CID 141489997

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one (CID 123153794) is 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one is C/N=C1/C(c2nc3ccccc3[nH]2)C(=O)C(C)(CC(C)O)N1c1cc(OC)cc(OC)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one?
The InChIKey is PENIFFTVEPBTRE-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14(29)13-24(2)21(30)20(22-26-18-8-6-7-9-19(18)27-22)23(25-3)28(24)15-10-16(31-4)12-17(11-15)32-5/h6-12,14,20,29H,13H2,1-5H3,(H,26,27)/b25-23-.
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one?
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one has a molecular weight of 436.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(2-hydroxypropyl)-2-methyl-5-methyliminopyrrolidin-3-one is sourced from PubChem (CID 123153794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).